General Information of the Compound
| Compound ID |
CP0397201
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| Compound Name |
3-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]pyrrolidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H22ClN3O3S
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| Molecular Weight |
455.967
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCC1CCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(26-14)16-5-7-18(24)8-6-16)21(28)25-12-15-9-10-27(13-15)19-4-2-3-17(11-19)23(29)30/h2-8,11,15H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)
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| InChIKey |
XFLILJZIWPNEBO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma